Multi-path variational transition state theory for chemical reaction rates of complex polyatomic species: ethanol + OH reactions

2012 ◽  
Vol 157 ◽  
pp. 59 ◽  
Author(s):  
Jingjing Zheng ◽  
Donald G. Truhlar
Keyword(s):  
Transition State ◽  
Chemical Reaction ◽  
Transition State Theory ◽  
Reaction Rates ◽  
State Theory ◽  
Variational Transition State Theory ◽  
Oh Reactions ◽  
Chemical Reaction Rates ◽  
Variational Transition State

POLYRATE: A general computer program for variational transition state theory and semiclassical tunneling calculations of chemical reaction rates

1987 ◽  
Vol 47 (1) ◽  
pp. 91-102 ◽  
Author(s):  
Alan D. Isaacson ◽  
Donald G. Truhlar ◽  
Sachchida N. Rai ◽  
Rozeanne Steckler ◽  
Gene C. Hancock ◽  
...  
Keyword(s):  
Transition State ◽  
Computer Program ◽  
Transition State Theory ◽  
Reaction Rates ◽  
State Theory ◽  
Variational Transition State Theory ◽  
Semiclassical Tunneling ◽  
General Computer Program ◽  
General Computer ◽  
Chemical Reaction Rates

Variational transition-state theory for reaction rates in dissipative systems

1990 ◽  
Vol 65 (12) ◽  
pp. 1399-1402 ◽  
Author(s):  
Eli Pollak ◽  
Susan C. Tucker ◽  
Bruce J. Berne
Keyword(s):  
Transition State ◽  
Transition State Theory ◽  
Reaction Rates ◽  
State Theory ◽  
Dissipative Systems ◽  
Variational Transition State Theory ◽  
Variational Transition State
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